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Chemical structure of Spirolaxine

GC40963

Spirolaxine

Also known as (3R)-5-hydroxy-7-methoxy-3-[5-[(2R,5R,7R)-2-methyl-1,6-dioxaspiro[4.5]decan-7-yl]pentyl]-3H-2-benzofuran-1-one

Spirolaxine is a long-chain phthalide produced by the fungus S

ChemicalCAS126382-01-2MW404.5FormulaC23H32O6
CAS number
126382-01-2
Molecular weight
404.5
Formula
C23H32O6
Solubility
Soluble in DMSO
InChIKey
CZIMFHQXGMXDMO-DGROVODQSA-N
Catalogue number
GC40963
Brand
GLPBIO
Computed properties PubChem CID 11188895 · XLogP 4.5 · TPSA 74.2 Ų · H-bond donors 1
XLogP
4.5
TPSA
74.2 Ų
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
7
Heavy atoms
29

SMILES C[C@@H]1CC[C@@]2(O1)CCC[C@H](O2)CCCCC[C@@H]3C4=C(C(=CC(=C4)O)OC)C(=O)O3

Computed descriptors from PubChem (CID 11188895), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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